REMARK  Name = BDB012478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.971  -2.809  -2.173  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -3.077  -1.429  -1.617  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.483  -1.089  -0.312  0.00  0.00    +0.236 A 
ATOM      4  O   LIG    1       -1.839  -2.159   0.206  0.00  0.00    -0.475 OA
ATOM      5  C   LIG    1       -0.886  -1.951   1.272  0.00  0.00    +0.233 C 
ATOM      6  C   LIG    1        0.294  -2.866   0.959  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        1.481  -2.794   1.923  0.00  0.00    +0.137 C 
ATOM      8  C   LIG    1        2.149  -1.421   2.130  0.00  0.00    +0.156 C 
ATOM      9  N   LIG    1        2.319  -0.572   0.971  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1        2.784  -0.941  -0.271  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        2.466   0.150  -1.078  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        2.729   0.096  -2.454  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.332  -1.051  -2.981  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.669  -2.122  -2.152  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1        1.934   1.171  -0.337  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1        3.403  -2.091  -0.778  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        1.972   0.764   0.910  0.00  0.00    +0.203 A 
ATOM     18  N   LIG    1        1.779   1.534   2.039  0.00  0.00    -0.252 N 
ATOM     19  H   LIG    1        2.309   1.285   2.861  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        1.463   2.872   1.960  0.00  0.00    +0.250 C 
ATOM     21  C   LIG    1        0.408   3.304   1.018  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -0.832   2.657   1.048  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -1.876   3.079   0.215  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1       -3.213   2.378   0.275  0.00  0.00    +0.182 C 
ATOM     25  N   LIG    1       -3.193   1.076  -0.381  0.00  0.00    -0.222 N 
ATOM     26  C   LIG    1       -3.753   0.939  -1.643  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.306   1.835  -2.276  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -1.649   4.150  -0.661  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.414   4.809  -0.674  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        0.614   4.398   0.178  0.00  0.00    +0.013 A 
ATOM     31  O   LIG    1        1.934   3.679   2.759  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -2.542   0.051   0.288  0.00  0.00    -0.130 NA
ATOM     33  C   LIG    1       -3.683  -0.413  -2.241  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   7  34
ATOM     34  O   LIG    1        1.037  -3.281   3.196  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        1.817  -3.563   3.705  0.00  0.00    +0.210 HD
ENDBRANCH   7  34
TORSDOF 1